CID 135611773

100476-51-5

Structural Information

Molecular Formula
C23H15ClN4O4
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)OCC(=O)N=NC4=C(NC5=C4C=C(C=C5)Cl)O
InChI
InChI=1S/C23H15ClN4O4/c24-14-7-10-17-16(11-14)21(22(30)25-17)28-27-20(29)12-31-15-8-5-13(6-9-15)23-26-18-3-1-2-4-19(18)32-23/h1-11,25,30H,12H2
InChIKey
GRSPGNKBGCJLBH-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.0782 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.08548 201.9
[M+Na]+ 469.06742 213.1
[M-H]- 445.07092 213.7
[M+NH4]+ 464.11202 212.7
[M+K]+ 485.04136 207.6
[M+H-H2O]+ 429.07546 192.5
[M+HCOO]- 491.07640 222.0
[M+CH3COO]- 505.09205 212.8
[M+Na-2H]- 467.05287 206.2
[M]+ 446.07765 211.6
[M]- 446.07875 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.